NP-MRD: Showing NP-Card for 4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile (NP0253783)

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Record Information

Version

2.0

Created at

2022-09-07 17:45:27 UTC

Updated at

2022-09-07 17:45:28 UTC

NP-MRD ID

NP0253783

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile

Description

Cysteine Protease inhibitor belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. 4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile is found in Malus domestica. 4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile was first documented in 2022 (PMID: 36044342). Based on a literature review a small amount of articles have been published on Cysteine Protease inhibitor (PMID: 36007331) (PMID: 35874657) (PMID: 35713601).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -7.3970    3.1757    0.9174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8487    2.2051    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1630    1.0031    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7873   -0.1965    0.1607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1599   -1.3277   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8427   -1.2834   -0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2108   -0.0629   -0.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.1019   -1.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8852   -0.1122   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1838   -0.4908    1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1762   -0.7027    2.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1383   -0.5308    1.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4805   -0.1499    0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8806    0.0232    0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    0.9768   -0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5202    1.1806   -1.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5279    0.4374   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9065    0.6845   -1.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8230   -0.1949   -0.4039 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977   -0.5101    0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -0.7324    0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5501    0.0538   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8944    1.0271   -0.2357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7039   -2.2472   -0.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3113   -2.1764   -0.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2174   -0.6341    1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124   -1.0003    3.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9679   -0.6875    2.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123    1.5504   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.9299   -1.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834    0.4324   -2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2287    1.7370   -1.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7048   -1.1782   -0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7217   -0.0736    0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720   -1.1127    0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300   -1.4685    1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890    0.3541   -1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 17  1  0
 17 16  2  0
 16 15  1  0
 15 14  2  0
 14 21  1  0
 21 20  2  0
 14 13  1  0
 13 22  2  0
 22  9  1  0
  9  8  1  0
  8  7  1  0
  7 23  2  0
 23  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  3  2  1  0
  2  1  3  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 20 17  1  0
 12 13  1  0
  6  7  1  0
 19 33  1  0
 19 34  1  0
 18 31  1  0
 18 32  1  0
 16 30  1  0
 15 29  1  0
 21 36  1  0
 20 35  1  0
 22 37  1  0
  5 24  1  0
  6 25  1  0
 10 26  1  0
 11 27  1  0
 12 28  1  0
M  END


  Mrv1652309072219452D          

 23 25  0  0  0  0            999 V2000
    2.1434   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 14 21  1  0  0  0  0
 13 22  2  0  0  0  0
  9 22  1  0  0  0  0
  7 23  2  0  0  0  0
  3 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0253783

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NCC1=CC=C(C=C1)C1=CC(OC2=NC(=NC=C2)C#N)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H14N4O/c19-11-13-4-6-14(7-5-13)15-2-1-3-16(10-15)23-18-8-9-21-17(12-20)22-18/h1-10H,11,19H2

> <INCHI_KEY>
RMVQVAZRAZGSTH-UHFFFAOYSA-N

> <FORMULA>
C18H14N4O

> <MOLECULAR_WEIGHT>
302.337

> <EXACT_MASS>
302.116761087

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
32.09635917073923

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile

> <JCHEM_LOGP>
3.465666597666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.266797278994243

> <JCHEM_POLAR_SURFACE_AREA>
84.82

> <JCHEM_REFRACTIVITY>
88.26870000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  N   UNK     0       4.001  -3.850   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       5.335  -7.700   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.334 -10.010   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001 -16.170   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335 -16.940   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -5.335 -18.480   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -4.001 -14.630   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       2.667  -7.700   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   23                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   22                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21                                                       
CONECT   21   20   14                                                       
CONECT   22   13    9                                                       
CONECT   23    7    3                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₁₄N₄O

Average Mass

302.3370 Da

Monoisotopic Mass

302.11676 Da

IUPAC Name

4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile

Traditional Name

4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile

CAS Registry Number

Not Available

SMILES

NCC1=CC=C(C=C1)C1=CC(OC2=NC(=NC=C2)C#N)=CC=C1

InChI Identifier

InChI=1S/C18H14N4O/c19-11-13-4-6-14(7-5-13)15-2-1-3-16(10-15)23-18-8-9-21-17(12-20)22-18/h1-10H,11,19H2

InChI Key

RMVQVAZRAZGSTH-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Malus domestica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Biphenyls and derivatives

Direct Parent

Biphenyls and derivatives

Alternative Parents

Substituents

Biphenyl
Diaryl ether
Benzylamine
Phenoxy compound
Phenol ether
Phenylmethylamine
Aralkylamine
Pyrimidine
Heteroaromatic compound
Azacycle
Nitrile
Carbonitrile
Ether
Organoheterocyclic compound
Primary amine
Amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Cyanide
Organic oxygen compound
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.47	ChemAxon
pKa (Strongest Basic)	9.27	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	84.82 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	88.27 m³·mol⁻¹	ChemAxon
Polarizability	32.1 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10173124

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12000657

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Dos Santos AM, Oliveira ARS, da Costa CHS, Kenny PW, Montanari CA, Varela JJG Junior, Lameira J: Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. J Chem Inf Model. 2022 Sep 12;62(17):4083-4094. doi: 10.1021/acs.jcim.2c00466. Epub 2022 Aug 31. [PubMed:36044342 ]
Wei R, Zhang L, Hu W, Wu J, Zhang W: CSTA plays a role in osteoclast formation and bone resorption by mediating the DAP12/TREM2 pathway. Biochem Biophys Res Commun. 2022 Oct 30;627:12-20. doi: 10.1016/j.bbrc.2022.08.033. Epub 2022 Aug 15. [PubMed:36007331 ]
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LOTUS database [Link]

Showing NP-Card for 4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile (NP0253783)

MOL for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

3D MOL for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

3D SDF for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

3D-SDF for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

PDB for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

3D PDB for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

SMILES for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

INCHI for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

Structure for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)

3D Structure for NP0253783 (4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile)